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Disialyllactose

CAT: 0931-TN8315-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8315-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38598-36-6
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
Disialyllactose, one of the most abundant sialylated oligosaccharides in bovine milk, is a notable component.
Smiles
O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@H](O[C@@]2(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C2)[H])CO)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@@H]3[C@@H](O)[C@H](O[C@@H]([C@@H]([C@H](C=O)O)O)[C@@H](CO)O)O[C@H](CO)[C@@H]3O
Molecular Formula
C34H56N2O27
Molecular Weight
924.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GD3-Oligosaccharide
CAS Number38598-36-6
PubChem CID101873157
IUPAC Name(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid
Molecular FormulaC34H56N2O27
Molecular Weight924.8
XLogP-10
Topological Polar Surface Area488
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count27
Rotatable Bond Count22
Heavy Atom Count63
Formal Charge0
Complexity1550
SMILES
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O
InChI
InChI=1S/C34H56N2O27/c1-10(42)35-19-12(44)3-33(31(54)55,61-27(19)22(50)15(47)6-38)60-18(9-41)24(52)28-20(36-11(2)43)13(45)4-34(62-28,32(56)57)63-29-23(51)17(8-40)58-30(25(29)53)59-26(16(48)7-39)21(49)14(46)5-37/h5,12-30,38-41,44-53H,3-4,6-9H2,1-2H3,(H,35,42)(H,36,43)(H,54,55)(H,56,57)/t12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29-,30-,33+,34-/m0/s1
InChIKey
MQZCSQZIUQOHCH-VRYNHTRWSA-N
Chemical Structure
2D Structure
2D structure of GD3-Oligosaccharide
CAS: 38598-36-6
CID: 101873157
Formula: C34H56N2O27
MW: 924.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight924.8
XLogP3-10
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count27
Rotatable Bond Count22
Exact Mass924.30704451
Monoisotopic Mass924.30704451
Topological Polar Surface Area488 Ų
Heavy Atom Count63
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count21
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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